N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide

C25H29N3O3 — CID 155143234

IUPACN-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide
SMILESO=C(NO)c1ccc(C=CC(=O)N2CCC(CNC3CC3c3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N3O3/c29-24(11-8-18-6-9-21(10-7-18)25(30)27-31)28-14-12-19(13-15-28)17-26-23-16-22(23)20-4-2-1-3-5-20/h1-11,19,22-23,26,31H,12-17H2,(H,27,30)
InChIKeyTVQYDGRYNLMFHN-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.20
Rot. Bonds7

About N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide

N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide (PubChem CID 155143234) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide
PubChem CID155143234
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide
SMILESO=C(NO)c1ccc(C=CC(=O)N2CCC(CNC3CC3c3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N3O3/c29-24(11-8-18-6-9-21(10-7-18)25(30)27-31)28-14-12-19(13-15-28)17-26-23-16-22(23)20-4-2-1-3-5-20/h1-11,19,22-23,26,31H,12-17H2,(H,27,30)
InChIKeyTVQYDGRYNLMFHN-UHFFFAOYSA-N
XLogP3.20
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-[3-[[[2-(4-fluorophenyl)cyclopropyl]amino]methyl]azetidin-1-yl]-3-oxoprop-1-enyl]benzoic acid
CID 142749779
N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
CID 162640822
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
N-hydroxy-4-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]sulfonylbenzamide;2,2,2-trifluoroacetic acid
CID 175752354
tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566
tert-butyl 4-[[[(1S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 70810888
(E)-N-(benzenesulfonyl)-3-[4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]phenyl]prop-2-enamide;dihydrochloride
CID 129098226
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 66571126
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide
CID 71841529
N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide
CID 174937674

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide?
The IUPAC name of N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide (CID 155143234) is N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide?
The canonical SMILES for N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide is O=C(NO)c1ccc(C=CC(=O)N2CCC(CNC3CC3c3ccccc3)CC2)cc1.
What is the InChIKey of N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide?
The InChIKey is TVQYDGRYNLMFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-24(11-8-18-6-9-21(10-7-18)25(30)27-31)28-14-12-19(13-15-28)17-26-23-16-22(23)20-4-2-1-3-5-20/h1-11,19,22-23,26,31H,12-17H2,(H,27,30).
What are the key properties of N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide?
N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide is sourced from PubChem (CID 155143234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).